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Home > Fluorides > 137234-63-0
137234-63-0 | 4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αS,βR)-
CAS No: 137234-63-0 Catalog No: AG0012YY MDL No:
Product Description
Catalog Number:
AG0012YY
Chemical Name:
4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αS,βR)-
CAS Number:
137234-63-0
Molecular Formula:
C16H14F3N5O
Molecular Weight:
349.3105
IUPAC Name:
(2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChI:
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m1/s1
InChI Key:
BCEHBSKCWLPMDN-HWPZZCPQSA-N
SMILES:
Fc1ccc(c(c1)F)[C@@]([C@@H](c1ncncc1F)C)(Cn1cncn1)O
UNII:
1Y58LNV43M
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
349.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.317g/mol
Monoisotopic Mass:
349.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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